MMsINC Database Search


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MMsINC code: MMs02581875

Type: Neutral
Formula: C₁₅H₁₀ClNO₄

SMILES:

Clc1cc2c(Oc3nc(C)c(cc3C2=O)C(OC)=O)cc1

InChI:

InChI=1/C15H10ClNO4/c1-7-9(15(19)20-2)6-11-13(18)10-5-8(16)3-4-12(10)21-14(11)17-7/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7413 kcal/mol

Physical Properties
Molecular Weight: 303.701 g/mol	logS: -4.48917	SlogP: 3.16672	Reactive groups: 0

Topological Properties
Globularity: 0.0111633	Sterimol/B1: 2.40297	Sterimol/B2: 2.46799	Sterimol/B3: 2.50053
Sterimol/B4: 6.9994	Sterimol/L: 15.7283

Surface and Volume Properties
Accessible surface: 501.78	Positive charged surface: 282.808	Negative charged surface: 218.972	Volume: 256
Hydrophobic surface: 410.187	Hydrophilic surface: 91.593

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.